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Compound Detail

CHEMBL204865

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CS(=O)(=O)c1ccc(C#CC(=O)c2ccc(S(C)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204865
Phase Preclinical
Structure Type MOL
InChI Key SIBGGDCAIVTUSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
1.73
ALogP
5
HBA
0
HBD
85.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O5S2
MW 362.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
16509583 10.1021/jm0510474 Prostaglandin G/H synthase 1 1
16509583 10.1021/jm0510474 Prostaglandin G/H synthase 2 1
16509583 10.1021/jm0510474 5-lipoxygenase 1
16509583 10.1021/jm0510474 Seed linoleate 13S-lipoxygenase-1 1

Data from ChEMBL 36 via Core Engine